ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

C20H25N5O4S — CID 159399543

IUPACethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C(S(C)(=O)=O)=C(c2cnn(C)c2)C3)CC1
InChIInChI=1S/C20H25N5O4S/c1-4-29-20(26)25-9-7-24(8-10-25)17-5-6-21-16-11-15(14-12-22-23(2)13-14)19(18(16)17)30(3,27)28/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyLNDWHZAGMHLVMP-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.56
Rot. Bonds4

About ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 159399543) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID159399543
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Nameethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccnc3c2C(S(C)(=O)=O)=C(c2cnn(C)c2)C3)CC1
InChIInChI=1S/C20H25N5O4S/c1-4-29-20(26)25-9-7-24(8-10-25)17-5-6-21-16-11-15(14-12-22-23(2)13-14)19(18(16)17)30(3,27)28/h5-6,12-13H,4,7-11H2,1-3H3
InChIKeyLNDWHZAGMHLVMP-UHFFFAOYSA-N
XLogP1.56
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-[4-[6-(1-methylpyrazol-4-yl)-5-prop-1-ynyl-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]ethanone
CID 158036297
ethyl 4-(5-chloro-6-pyridin-2-yl-7H-cyclopenta[b]pyridin-4-yl)piperazine-1-carboxylate
CID 160981616
ethyl 4-[6-[1-(oxetan-3-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158956474
methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
ethyl 4-[6-(4-methyl-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 162230999
ethyl 4-(3-piperidin-1-ylsulfonyl-4-pyridinyl)piperazine-1-carboxylate
CID 1214448
cyclobutylmethyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570026
(3-fluorocyclobutyl)-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 158140942
3,3,3-trifluoro-1-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]propan-1-one
CID 162013373
oxetan-3-yl 4-[5-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 159002850
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 4-[6-(5-cyano-2-pyridinyl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
CID 158413507

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (CID 159399543) is ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccnc3c2C(S(C)(=O)=O)=C(c2cnn(C)c2)C3)CC1.
What is the InChIKey of ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is LNDWHZAGMHLVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-4-29-20(26)25-9-7-24(8-10-25)17-5-6-21-16-11-15(14-12-22-23(2)13-14)19(18(16)17)30(3,27)28/h5-6,12-13H,4,7-11H2,1-3H3.
What are the key properties of ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 431.52 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(1-methylpyrazol-4-yl)-5-methylsulfonyl-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 159399543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).